5-(4-tert-butylphenyl)sulfanyl-3-nitro-1-prop-2-enyl-1,2,4-triazole

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-3-nitro-1-prop-2-enyl-1,2,4-triazole Openeye Name: 1-allyl-5-(4-tert-butylphenyl)sulfanyl-3-nitro-1,2,4-triazole CAS Name: 5-[(4-tert-butylphenyl)thio]-3-nitro-1-prop-2-enyl-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-3-nitro-1-prop-2-enyl-1,2,4-triazole Traditional Name: 1-allyl-5-[(4-tert-butylphenyl)thio]-3-nitro-1,2,4-triazole Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2CC=C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-5-10-18-14(16-13(17-18)19(20)21)22-12-8-6-11(7-9-12)15(2,3)4/h5-9H,1,10H2,2-4H3